Crystallography Open Database

Information card for entry 7019301

7019300 << 7019301 >> 7019302

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Coordinates	7019301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Cr I N2
Calculated formula	C20 H21 Cr I N2
SMILES	c1cccc2C=[N](c3c(cc(cc3C)C)C)[Cr]3456([cH]7[cH]3[cH]4[cH]5[cH]67)([n]12)I
Title of publication	Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.
Authors of publication	Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7920 - 7930
a	10.0652 ± 0.0005 Å
b	17.6932 ± 0.0009 Å
c	20.9964 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3739.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179897 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/93.	7019301.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019301.cif
62834	2012-07-09	cif/ Adding structures of 7019295, 7019296, 7019297, 7019298, 7019299, 7019300, 7019301, 7019302, 7019303 via cif-deposit CGI script.	7019301.cif